Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 4/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14573191 | 0.87 | KCNH2 (0.58) | KDM4EALDH1A1HRH1KCNH2CYP3A4 | |
| SCHEMBL10306736 | 0.75 | CYP2D6 (0.48) | KDM4EALDH1A1HRH1KCNH2CYP3A4 | |
| SCHEMBL14113589 | 0.74 | OPRD1 (0.68) | OPRM1OPRD1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL22431600 | 0.73 | OPRM1 (0.35) | HRH1OPRM1OPRD1KCNH2NPC1 | |
| SCHEMBL14573202 | 0.73 | KDM4E (0.50) | KDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL9792832 | 0.73 | CHRM3 (0.64) | KDM4EALDH1A1 | |
| SCHEMBL7085987 | 0.72 | ALDH1A1 (0.55) | KDM4EALDH1A1 | |
| SCHEMBL17771882 | 0.71 | KEAP1 (0.58) | ALDH1A1HRH1OPRM1KCNH2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9195621 | 0.71 | CHRM3 (0.53) | KDM4EALDH1A1 | |
| SCHEMBL6606267 | 0.71 | HRH1 (0.64) | HRH1KCNH2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7183367-B2 | Vinyl sulphone modified polymer | N.V. ORGANON (NL) | 2007-02-27 | — | — | US | disclosed |
| US-7183367-B2 | Vinyl sulphone modified polymer | N.V. ORGANON (NL) | 2007-02-27 | — | — | US | disclosed |